N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

C13H15N3O2S — CID 647858

IUPACN-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESCOCCc1nnc(NC(=O)Cc2ccccc2)s1
InChIInChI=1S/C13H15N3O2S/c1-18-8-7-12-15-16-13(19-12)14-11(17)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16,17)
InChIKeyKQGZIQZKKWYUQR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.91
Rot. Bonds6

About N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 647858) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
PubChem CID647858
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESCOCCc1nnc(NC(=O)Cc2ccccc2)s1
InChIInChI=1S/C13H15N3O2S/c1-18-8-7-12-15-16-13(19-12)14-11(17)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16,17)
InChIKeyKQGZIQZKKWYUQR-UHFFFAOYSA-N
XLogP1.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 647858) is N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is COCCc1nnc(NC(=O)Cc2ccccc2)s1.
What is the InChIKey of N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The InChIKey is KQGZIQZKKWYUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-18-8-7-12-15-16-13(19-12)14-11(17)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16,17).
What are the key properties of N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 647858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).